Information card for entry 2203818

Structure parameters

• Formula: C30 H34 O10
• Calculated formula: C30 H34 O10
• SMILES: COc1c(OCCCCCCOc2c(C(=O)C)c(OC)c3c(c2OC)occ3)c(C(=O)C)c(c2c1occ2)OC
• Title of publication: 1,6-Bis(5-acetyl-4,7-dimethoxybenzofuran-6-yloxy)hexane
• Authors of publication: Baell, Jonathan B.; Gable, Robert W.; Harvey, Andrew J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: o996 - o997
• a: 7.1937 ± 0.0006 Å
• b: 13.8894 ± 0.0012 Å
• c: 14.3709 ± 0.0012 Å
• α: 90°
• β: 93.271 ± 0.002°
• γ: 90°
• Cell volume: 1433.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes